6-phenylmethoxy-4-(phenylmethoxymethyl)-2-(2-pyridin-2-ylethyl)-1,2,4-triazine-3,5-dione

C25H24N4O4 — CID 90037047

IUPAC6-phenylmethoxy-4-(phenylmethoxymethyl)-2-(2-pyridin-2-ylethyl)-1,2,4-triazine-3,5-dione
SMILESO=c1c(OCc2ccccc2)nn(CCc2ccccn2)c(=O)n1COCc1ccccc1
InChIInChI=1S/C25H24N4O4/c30-24-23(33-18-21-11-5-2-6-12-21)27-29(16-14-22-13-7-8-15-26-22)25(31)28(24)19-32-17-20-9-3-1-4-10-20/h1-13,15H,14,16-19H2
InChIKeyDZCLUBZOXBGJBK-UHFFFAOYSA-N
MW444.49 g/mol
LogP2.80
Rot. Bonds10

About 6-phenylmethoxy-4-(phenylmethoxymethyl)-2-(2-pyridin-2-ylethyl)-1,2,4-triazine-3,5-dione

6-phenylmethoxy-4-(phenylmethoxymethyl)-2-(2-pyridin-2-ylethyl)-1,2,4-triazine-3,5-dione (PubChem CID 90037047) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is 6-phenylmethoxy-4-(phenylmethoxymethyl)-2-(2-pyridin-2-ylethyl)-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-phenylmethoxy-4-(phenylmethoxymethyl)-2-(2-pyridin-2-ylethyl)-1,2,4-triazine-3,5-dione
PubChem CID90037047
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC Name6-phenylmethoxy-4-(phenylmethoxymethyl)-2-(2-pyridin-2-ylethyl)-1,2,4-triazine-3,5-dione
SMILESO=c1c(OCc2ccccc2)nn(CCc2ccccn2)c(=O)n1COCc1ccccc1
InChIInChI=1S/C25H24N4O4/c30-24-23(33-18-21-11-5-2-6-12-21)27-29(16-14-22-13-7-8-15-26-22)25(31)28(24)19-32-17-20-9-3-1-4-10-20/h1-13,15H,14,16-19H2
InChIKeyDZCLUBZOXBGJBK-UHFFFAOYSA-N
XLogP2.80
TPSA88.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxy-4-(phenylmethoxymethyl)-2-(2-pyridin-2-ylethyl)-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-phenylmethoxy-4-(phenylmethoxymethyl)-2-(2-pyridin-2-ylethyl)-1,2,4-triazine-3,5-dione (CID 90037047) is 6-phenylmethoxy-4-(phenylmethoxymethyl)-2-(2-pyridin-2-ylethyl)-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-phenylmethoxy-4-(phenylmethoxymethyl)-2-(2-pyridin-2-ylethyl)-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-phenylmethoxy-4-(phenylmethoxymethyl)-2-(2-pyridin-2-ylethyl)-1,2,4-triazine-3,5-dione is O=c1c(OCc2ccccc2)nn(CCc2ccccn2)c(=O)n1COCc1ccccc1.
What is the InChIKey of 6-phenylmethoxy-4-(phenylmethoxymethyl)-2-(2-pyridin-2-ylethyl)-1,2,4-triazine-3,5-dione?
The InChIKey is DZCLUBZOXBGJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c30-24-23(33-18-21-11-5-2-6-12-21)27-29(16-14-22-13-7-8-15-26-22)25(31)28(24)19-32-17-20-9-3-1-4-10-20/h1-13,15H,14,16-19H2.
What are the key properties of 6-phenylmethoxy-4-(phenylmethoxymethyl)-2-(2-pyridin-2-ylethyl)-1,2,4-triazine-3,5-dione?
6-phenylmethoxy-4-(phenylmethoxymethyl)-2-(2-pyridin-2-ylethyl)-1,2,4-triazine-3,5-dione has a molecular weight of 444.49 g/mol, XLogP of 2.80, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxy-4-(phenylmethoxymethyl)-2-(2-pyridin-2-ylethyl)-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 90037047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).